USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 MET CE :methyl -159:sc= -2.12 (180deg=-3.46!) USER MOD Set 1.2: A 72 HIS : no HD1:sc= -1.81 K(o=-3.9,f=-2.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0487 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0968 K(o=-0.097,f=-1.7!) USER MOD Single : A 13 MET CE :methyl -161:sc= -0.0331 (180deg=-0.127) USER MOD Single : A 14 SER OG : rot 180:sc= 0.12 USER MOD Single : A 18 GLN : amide:sc= 0.00307 X(o=0.0031,f=0) USER MOD Single : A 19 GLN : amide:sc= -3.59! C(o=-3.6!,f=-5.1!) USER MOD Single : A 24 CYS SG : rot -115:sc= 1.15 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= -0.0819 (180deg=-0.617) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.0247 (180deg=-0.306) USER MOD Single : A 50 TYR OH : rot 0:sc= -1.96 USER MOD Single : A 51 ASN : amide:sc= -0.016 K(o=-0.016,f=-0.91) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 55 HIS : no HE2:sc= -5.56! C(o=-5.6!,f=-7.6!) USER MOD Single : A 56 CYS SG : rot 41:sc= -2.69! USER MOD Single : A 61 ASN : amide:sc= -0.483 X(o=-0.48,f=0.0092) USER MOD Single : A 64 SER OG : rot 49:sc= 1.1 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -33:sc= -0.474 USER MOD Single : A 75 TYR OH : rot 8:sc= -0.954 USER MOD Single : A 77 TYR OH : rot -73:sc= 1.04 USER MOD Single : A 80 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.25) USER MOD Single : A 87 LYS NZ :NH3+ -143:sc= -0.426 (180deg=-1.13) USER MOD Single : A 88 SER OG : rot -35:sc= 0.932 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.509 18.069 -9.266 1.00 0.00 N ATOM 2 CA MET A 1 -14.131 18.300 -9.661 1.00 0.00 C ATOM 3 C MET A 1 -13.263 18.647 -8.450 1.00 0.00 C ATOM 4 O MET A 1 -13.773 18.795 -7.340 1.00 0.00 O ATOM 5 CB MET A 1 -14.074 19.445 -10.674 1.00 0.00 C ATOM 6 CG MET A 1 -13.816 18.915 -12.087 1.00 0.00 C ATOM 7 SD MET A 1 -14.233 20.163 -13.293 1.00 0.00 S ATOM 8 CE MET A 1 -12.674 20.297 -14.152 1.00 0.00 C ATOM 0 H1 MET A 1 -16.147 18.459 -9.989 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.676 17.047 -9.171 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.692 18.535 -8.355 1.00 0.00 H new ATOM 0 HA MET A 1 -13.745 17.385 -10.111 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.013 19.999 -10.655 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.286 20.144 -10.394 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.769 18.631 -12.192 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.409 18.017 -12.261 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.758 21.040 -14.945 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.897 20.601 -13.451 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.413 19.332 -14.586 1.00 0.00 H new ATOM 18 N SER A 2 -11.968 18.770 -8.704 1.00 0.00 N ATOM 19 CA SER A 2 -11.027 19.098 -7.648 1.00 0.00 C ATOM 20 C SER A 2 -10.969 17.960 -6.626 1.00 0.00 C ATOM 21 O SER A 2 -11.354 18.138 -5.471 1.00 0.00 O ATOM 22 CB SER A 2 -11.405 20.410 -6.960 1.00 0.00 C ATOM 23 OG SER A 2 -10.644 21.510 -7.450 1.00 0.00 O ATOM 0 H SER A 2 -11.549 18.648 -9.626 1.00 0.00 H new ATOM 0 HA SER A 2 -10.042 19.226 -8.097 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.466 20.607 -7.113 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.251 20.313 -5.885 1.00 0.00 H new ATOM 0 HG SER A 2 -10.917 22.329 -6.986 1.00 0.00 H new ATOM 29 N ASP A 3 -10.484 16.816 -7.086 1.00 0.00 N ATOM 30 CA ASP A 3 -10.371 15.651 -6.227 1.00 0.00 C ATOM 31 C ASP A 3 -9.187 14.797 -6.686 1.00 0.00 C ATOM 32 O ASP A 3 -8.564 15.091 -7.704 1.00 0.00 O ATOM 33 CB ASP A 3 -11.632 14.787 -6.303 1.00 0.00 C ATOM 34 CG ASP A 3 -12.612 14.970 -5.141 1.00 0.00 C ATOM 35 OD1 ASP A 3 -12.302 14.641 -3.986 1.00 0.00 O ATOM 36 OD2 ASP A 3 -13.751 15.481 -5.465 1.00 0.00 O ATOM 0 H ASP A 3 -10.165 16.672 -8.044 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.232 15.999 -5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.151 15.010 -7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.334 13.739 -6.346 1.00 0.00 H new ATOM 42 N ARG A 4 -8.911 13.759 -5.910 1.00 0.00 N ATOM 43 CA ARG A 4 -7.813 12.862 -6.223 1.00 0.00 C ATOM 44 C ARG A 4 -8.269 11.406 -6.117 1.00 0.00 C ATOM 45 O ARG A 4 -8.080 10.623 -7.046 1.00 0.00 O ATOM 46 CB ARG A 4 -6.631 13.089 -5.278 1.00 0.00 C ATOM 47 CG ARG A 4 -5.672 14.140 -5.842 1.00 0.00 C ATOM 48 CD ARG A 4 -6.151 15.554 -5.508 1.00 0.00 C ATOM 49 NE ARG A 4 -5.111 16.541 -5.876 1.00 0.00 N ATOM 50 CZ ARG A 4 -4.870 16.951 -7.140 1.00 0.00 C ATOM 51 NH1 ARG A 4 -5.594 16.463 -8.168 1.00 0.00 N ATOM 52 NH2 ARG A 4 -3.915 17.838 -7.352 1.00 0.00 N ATOM 0 H ARG A 4 -9.430 13.520 -5.065 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.494 13.072 -7.244 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.997 13.411 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.098 12.151 -5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.674 13.984 -5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.595 14.024 -6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.075 15.770 -6.044 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.375 15.629 -4.444 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.541 16.936 -5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.330 15.779 -7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.405 16.778 -9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.374 18.202 -6.568 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.719 18.159 -8.300 1.00 0.00 H new ATOM 65 N LYS A 5 -8.863 11.087 -4.976 1.00 0.00 N ATOM 66 CA LYS A 5 -9.349 9.738 -4.736 1.00 0.00 C ATOM 67 C LYS A 5 -8.164 8.823 -4.422 1.00 0.00 C ATOM 68 O LYS A 5 -7.011 9.244 -4.503 1.00 0.00 O ATOM 69 CB LYS A 5 -10.202 9.259 -5.914 1.00 0.00 C ATOM 70 CG LYS A 5 -11.616 8.899 -5.455 1.00 0.00 C ATOM 71 CD LYS A 5 -11.767 7.387 -5.276 1.00 0.00 C ATOM 72 CE LYS A 5 -12.169 7.043 -3.840 1.00 0.00 C ATOM 73 NZ LYS A 5 -13.640 6.965 -3.718 1.00 0.00 N ATOM 0 H LYS A 5 -9.019 11.739 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.007 9.718 -3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.250 10.039 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.734 8.391 -6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.836 9.404 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.341 9.256 -6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.519 7.008 -5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.828 6.892 -5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.723 6.092 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.781 7.799 -3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.895 6.731 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.059 7.882 -3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.003 6.228 -4.356 1.00 0.00 H new ATOM 85 N ALA A 6 -8.489 7.587 -4.070 1.00 0.00 N ATOM 86 CA ALA A 6 -7.466 6.609 -3.743 1.00 0.00 C ATOM 87 C ALA A 6 -6.435 6.559 -4.872 1.00 0.00 C ATOM 88 O ALA A 6 -5.259 6.850 -4.655 1.00 0.00 O ATOM 89 CB ALA A 6 -8.122 5.249 -3.492 1.00 0.00 C ATOM 0 H ALA A 6 -9.446 7.241 -4.004 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.942 6.892 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.355 4.515 -3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.824 5.331 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.655 4.931 -4.388 1.00 0.00 H new ATOM 95 N VAL A 7 -6.912 6.189 -6.051 1.00 0.00 N ATOM 96 CA VAL A 7 -6.045 6.098 -7.213 1.00 0.00 C ATOM 97 C VAL A 7 -5.006 4.999 -6.985 1.00 0.00 C ATOM 98 O VAL A 7 -4.734 4.623 -5.846 1.00 0.00 O ATOM 99 CB VAL A 7 -5.418 7.461 -7.506 1.00 0.00 C ATOM 100 CG1 VAL A 7 -4.608 7.425 -8.806 1.00 0.00 C ATOM 101 CG2 VAL A 7 -6.485 8.557 -7.556 1.00 0.00 C ATOM 0 H VAL A 7 -7.888 5.949 -6.227 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.620 5.823 -8.097 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.734 7.696 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.173 8.407 -8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.812 6.686 -8.718 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.262 7.156 -9.635 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.012 9.516 -7.766 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.205 8.328 -8.341 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.999 8.608 -6.596 1.00 0.00 H new ATOM 111 N ILE A 8 -4.453 4.512 -8.087 1.00 0.00 N ATOM 112 CA ILE A 8 -3.450 3.464 -8.020 1.00 0.00 C ATOM 113 C ILE A 8 -2.503 3.594 -9.215 1.00 0.00 C ATOM 114 O ILE A 8 -2.940 3.860 -10.332 1.00 0.00 O ATOM 115 CB ILE A 8 -4.116 2.091 -7.911 1.00 0.00 C ATOM 116 CG1 ILE A 8 -4.542 1.801 -6.469 1.00 0.00 C ATOM 117 CG2 ILE A 8 -3.208 0.994 -8.471 1.00 0.00 C ATOM 118 CD1 ILE A 8 -6.063 1.873 -6.323 1.00 0.00 C ATOM 0 H ILE A 8 -4.681 4.824 -9.031 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.846 3.572 -7.119 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.021 2.102 -8.519 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.191 0.812 -6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.074 2.519 -5.796 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.706 0.029 -8.381 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.997 1.197 -9.521 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.273 0.974 -7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.340 1.663 -5.290 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.408 2.870 -6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.527 1.137 -6.979 1.00 0.00 H new ATOM 130 N LYS A 9 -1.221 3.399 -8.937 1.00 0.00 N ATOM 131 CA LYS A 9 -0.208 3.492 -9.975 1.00 0.00 C ATOM 132 C LYS A 9 -0.007 2.114 -10.609 1.00 0.00 C ATOM 133 O LYS A 9 -0.316 1.915 -11.783 1.00 0.00 O ATOM 134 CB LYS A 9 1.077 4.105 -9.417 1.00 0.00 C ATOM 135 CG LYS A 9 1.080 5.625 -9.590 1.00 0.00 C ATOM 136 CD LYS A 9 1.189 6.333 -8.238 1.00 0.00 C ATOM 137 CE LYS A 9 2.305 7.379 -8.255 1.00 0.00 C ATOM 138 NZ LYS A 9 1.774 8.698 -8.663 1.00 0.00 N ATOM 0 H LYS A 9 -0.862 3.177 -8.009 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.536 4.164 -10.768 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.174 3.856 -8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.940 3.676 -9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.914 5.920 -10.227 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.167 5.938 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.240 6.812 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.384 5.601 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.757 7.453 -7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.092 7.069 -8.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.545 9.396 -8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.363 8.627 -9.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.040 8.999 -7.991 1.00 0.00 H new ATOM 150 N ASN A 10 0.511 1.198 -9.805 1.00 0.00 N ATOM 151 CA ASN A 10 0.757 -0.156 -10.272 1.00 0.00 C ATOM 152 C ASN A 10 0.564 -1.134 -9.113 1.00 0.00 C ATOM 153 O ASN A 10 1.357 -1.152 -8.172 1.00 0.00 O ATOM 154 CB ASN A 10 2.190 -0.309 -10.787 1.00 0.00 C ATOM 155 CG ASN A 10 2.271 -1.379 -11.876 1.00 0.00 C ATOM 156 OD1 ASN A 10 1.299 -2.036 -12.210 1.00 0.00 O ATOM 157 ND2 ASN A 10 3.480 -1.516 -12.412 1.00 0.00 N ATOM 0 H ASN A 10 0.767 1.367 -8.832 1.00 0.00 H new ATOM 0 HA ASN A 10 0.058 -0.365 -11.082 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.542 0.644 -11.182 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.850 -0.575 -9.961 1.00 0.00 H new ATOM 0 HD21 ASN A 10 3.636 -2.204 -13.149 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.251 -0.934 -12.086 1.00 0.00 H new ATOM 164 N ALA A 11 -0.494 -1.925 -9.218 1.00 0.00 N ATOM 165 CA ALA A 11 -0.801 -2.905 -8.188 1.00 0.00 C ATOM 166 C ALA A 11 -1.277 -4.200 -8.849 1.00 0.00 C ATOM 167 O ALA A 11 -2.435 -4.584 -8.709 1.00 0.00 O ATOM 168 CB ALA A 11 -1.840 -2.326 -7.227 1.00 0.00 C ATOM 0 H ALA A 11 -1.149 -1.908 -10.000 1.00 0.00 H new ATOM 0 HA ALA A 11 0.089 -3.140 -7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.070 -3.060 -6.455 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.443 -1.423 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.748 -2.081 -7.778 1.00 0.00 H new ATOM 174 N ASP A 12 -0.356 -4.838 -9.558 1.00 0.00 N ATOM 175 CA ASP A 12 -0.667 -6.082 -10.241 1.00 0.00 C ATOM 176 C ASP A 12 -1.254 -7.077 -9.238 1.00 0.00 C ATOM 177 O ASP A 12 -0.518 -7.830 -8.601 1.00 0.00 O ATOM 178 CB ASP A 12 0.592 -6.708 -10.845 1.00 0.00 C ATOM 179 CG ASP A 12 0.957 -6.207 -12.245 1.00 0.00 C ATOM 180 OD1 ASP A 12 0.698 -5.046 -12.594 1.00 0.00 O ATOM 181 OD2 ASP A 12 1.537 -7.075 -13.002 1.00 0.00 O ATOM 0 H ASP A 12 0.605 -4.516 -9.674 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.378 -5.861 -11.037 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.431 -6.516 -10.177 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.458 -7.789 -10.886 1.00 0.00 H new ATOM 187 N MET A 13 -2.574 -7.049 -9.129 1.00 0.00 N ATOM 188 CA MET A 13 -3.269 -7.939 -8.215 1.00 0.00 C ATOM 189 C MET A 13 -4.773 -7.943 -8.490 1.00 0.00 C ATOM 190 O MET A 13 -5.241 -7.283 -9.418 1.00 0.00 O ATOM 191 CB MET A 13 -3.014 -7.490 -6.774 1.00 0.00 C ATOM 192 CG MET A 13 -2.110 -8.483 -6.043 1.00 0.00 C ATOM 193 SD MET A 13 -2.848 -10.109 -6.060 1.00 0.00 S ATOM 194 CE MET A 13 -1.583 -11.014 -6.936 1.00 0.00 C ATOM 0 H MET A 13 -3.181 -6.423 -9.659 1.00 0.00 H new ATOM 0 HA MET A 13 -2.890 -8.950 -8.363 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.552 -6.503 -6.773 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.962 -7.398 -6.245 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.130 -8.514 -6.520 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.954 -8.156 -5.015 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.004 -11.939 -7.330 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.205 -10.407 -7.759 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.766 -11.249 -6.254 1.00 0.00 H new ATOM 204 N SER A 14 -5.491 -8.695 -7.669 1.00 0.00 N ATOM 205 CA SER A 14 -6.933 -8.794 -7.813 1.00 0.00 C ATOM 206 C SER A 14 -7.618 -7.704 -6.984 1.00 0.00 C ATOM 207 O SER A 14 -7.129 -7.328 -5.920 1.00 0.00 O ATOM 208 CB SER A 14 -7.435 -10.176 -7.391 1.00 0.00 C ATOM 209 OG SER A 14 -8.849 -10.195 -7.202 1.00 0.00 O ATOM 0 H SER A 14 -5.101 -9.242 -6.901 1.00 0.00 H new ATOM 0 HA SER A 14 -7.182 -8.652 -8.865 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.161 -10.909 -8.150 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.941 -10.474 -6.466 1.00 0.00 H new ATOM 0 HG SER A 14 -9.131 -11.095 -6.935 1.00 0.00 H new ATOM 215 N GLU A 15 -8.740 -7.228 -7.503 1.00 0.00 N ATOM 216 CA GLU A 15 -9.498 -6.190 -6.824 1.00 0.00 C ATOM 217 C GLU A 15 -9.735 -6.576 -5.362 1.00 0.00 C ATOM 218 O GLU A 15 -10.012 -5.716 -4.527 1.00 0.00 O ATOM 219 CB GLU A 15 -10.821 -5.918 -7.542 1.00 0.00 C ATOM 220 CG GLU A 15 -11.175 -4.430 -7.495 1.00 0.00 C ATOM 221 CD GLU A 15 -10.850 -3.746 -8.825 1.00 0.00 C ATOM 222 OE1 GLU A 15 -11.736 -3.135 -9.439 1.00 0.00 O ATOM 223 OE2 GLU A 15 -9.626 -3.868 -9.215 1.00 0.00 O ATOM 0 H GLU A 15 -9.143 -7.542 -8.386 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.916 -5.269 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.750 -6.246 -8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.617 -6.500 -7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.235 -4.312 -7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.623 -3.947 -6.689 1.00 0.00 H new ATOM 231 N GLU A 16 -9.619 -7.870 -5.099 1.00 0.00 N ATOM 232 CA GLU A 16 -9.819 -8.380 -3.753 1.00 0.00 C ATOM 233 C GLU A 16 -8.810 -7.749 -2.792 1.00 0.00 C ATOM 234 O GLU A 16 -9.194 -7.080 -1.834 1.00 0.00 O ATOM 235 CB GLU A 16 -9.722 -9.906 -3.726 1.00 0.00 C ATOM 236 CG GLU A 16 -11.110 -10.540 -3.609 1.00 0.00 C ATOM 237 CD GLU A 16 -12.040 -10.034 -4.713 1.00 0.00 C ATOM 238 OE1 GLU A 16 -12.658 -8.969 -4.561 1.00 0.00 O ATOM 239 OE2 GLU A 16 -12.106 -10.785 -5.758 1.00 0.00 O ATOM 0 H GLU A 16 -9.389 -8.580 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.822 -8.107 -3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.232 -10.259 -4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.102 -10.220 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.024 -11.625 -3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.538 -10.308 -2.634 1.00 0.00 H new ATOM 247 N MET A 17 -7.539 -7.984 -3.081 1.00 0.00 N ATOM 248 CA MET A 17 -6.470 -7.448 -2.253 1.00 0.00 C ATOM 249 C MET A 17 -6.193 -5.983 -2.599 1.00 0.00 C ATOM 250 O MET A 17 -5.842 -5.192 -1.726 1.00 0.00 O ATOM 251 CB MET A 17 -5.200 -8.272 -2.463 1.00 0.00 C ATOM 252 CG MET A 17 -5.420 -9.732 -2.064 1.00 0.00 C ATOM 253 SD MET A 17 -5.950 -10.679 -3.482 1.00 0.00 S ATOM 254 CE MET A 17 -4.481 -11.654 -3.769 1.00 0.00 C ATOM 0 H MET A 17 -7.224 -8.539 -3.877 1.00 0.00 H new ATOM 0 HA MET A 17 -6.780 -7.503 -1.209 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.897 -8.219 -3.509 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.386 -7.849 -1.874 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.498 -10.150 -1.661 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.169 -9.793 -1.275 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.479 -12.015 -4.797 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.597 -11.039 -3.599 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.469 -12.504 -3.086 1.00 0.00 H new ATOM 264 N GLN A 18 -6.359 -5.667 -3.876 1.00 0.00 N ATOM 265 CA GLN A 18 -6.131 -4.313 -4.348 1.00 0.00 C ATOM 266 C GLN A 18 -7.149 -3.355 -3.726 1.00 0.00 C ATOM 267 O GLN A 18 -6.787 -2.278 -3.257 1.00 0.00 O ATOM 268 CB GLN A 18 -6.179 -4.249 -5.876 1.00 0.00 C ATOM 269 CG GLN A 18 -5.771 -2.863 -6.379 1.00 0.00 C ATOM 270 CD GLN A 18 -6.008 -2.735 -7.885 1.00 0.00 C ATOM 271 OE1 GLN A 18 -6.763 -1.897 -8.350 1.00 0.00 O ATOM 272 NE2 GLN A 18 -5.326 -3.610 -8.617 1.00 0.00 N ATOM 0 H GLN A 18 -6.649 -6.327 -4.598 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.133 -4.004 -4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.513 -5.003 -6.296 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.186 -4.484 -6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.341 -2.098 -5.851 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.719 -2.687 -6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.711 -4.285 -8.163 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.418 -3.606 -9.633 1.00 0.00 H new ATOM 281 N GLN A 19 -8.403 -3.784 -3.742 1.00 0.00 N ATOM 282 CA GLN A 19 -9.476 -2.978 -3.186 1.00 0.00 C ATOM 283 C GLN A 19 -9.393 -2.964 -1.658 1.00 0.00 C ATOM 284 O GLN A 19 -9.389 -1.899 -1.043 1.00 0.00 O ATOM 285 CB GLN A 19 -10.842 -3.485 -3.656 1.00 0.00 C ATOM 286 CG GLN A 19 -11.921 -2.419 -3.451 1.00 0.00 C ATOM 287 CD GLN A 19 -11.895 -1.881 -2.018 1.00 0.00 C ATOM 288 OE1 GLN A 19 -12.046 -2.608 -1.050 1.00 0.00 O ATOM 289 NE2 GLN A 19 -11.697 -0.567 -1.939 1.00 0.00 N ATOM 0 H GLN A 19 -8.699 -4.679 -4.131 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.360 -1.956 -3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.790 -3.757 -4.710 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.108 -4.388 -3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.766 -1.600 -4.154 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.902 -2.843 -3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.578 -0.017 -2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.664 -0.110 -1.028 1.00 0.00 H new ATOM 298 N ASP A 20 -9.328 -4.160 -1.090 1.00 0.00 N ATOM 299 CA ASP A 20 -9.245 -4.298 0.354 1.00 0.00 C ATOM 300 C ASP A 20 -8.046 -3.501 0.870 1.00 0.00 C ATOM 301 O ASP A 20 -8.177 -2.701 1.795 1.00 0.00 O ATOM 302 CB ASP A 20 -9.050 -5.760 0.758 1.00 0.00 C ATOM 303 CG ASP A 20 -9.283 -6.060 2.239 1.00 0.00 C ATOM 304 OD1 ASP A 20 -8.897 -5.274 3.118 1.00 0.00 O ATOM 305 OD2 ASP A 20 -9.898 -7.168 2.482 1.00 0.00 O ATOM 0 H ASP A 20 -9.331 -5.041 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.177 -3.927 0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.727 -6.377 0.167 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.035 -6.061 0.498 1.00 0.00 H new ATOM 311 N ALA A 21 -6.901 -3.747 0.250 1.00 0.00 N ATOM 312 CA ALA A 21 -5.678 -3.063 0.636 1.00 0.00 C ATOM 313 C ALA A 21 -5.897 -1.550 0.552 1.00 0.00 C ATOM 314 O ALA A 21 -5.884 -0.861 1.571 1.00 0.00 O ATOM 315 CB ALA A 21 -4.526 -3.535 -0.255 1.00 0.00 C ATOM 0 H ALA A 21 -6.794 -4.411 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.413 -3.302 1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.609 -3.022 0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.393 -4.611 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.755 -3.309 -1.296 1.00 0.00 H new ATOM 321 N VAL A 22 -6.094 -1.080 -0.671 1.00 0.00 N ATOM 322 CA VAL A 22 -6.315 0.338 -0.899 1.00 0.00 C ATOM 323 C VAL A 22 -7.386 0.845 0.068 1.00 0.00 C ATOM 324 O VAL A 22 -7.442 2.037 0.369 1.00 0.00 O ATOM 325 CB VAL A 22 -6.674 0.580 -2.368 1.00 0.00 C ATOM 326 CG1 VAL A 22 -8.190 0.537 -2.576 1.00 0.00 C ATOM 327 CG2 VAL A 22 -6.091 1.906 -2.862 1.00 0.00 C ATOM 0 H VAL A 22 -6.105 -1.655 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.405 0.904 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.232 -0.222 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.418 0.712 -3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.570 -0.441 -2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.663 1.309 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.360 2.055 -3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.492 2.725 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.005 1.884 -2.766 1.00 0.00 H new ATOM 337 N ASP A 23 -8.207 -0.085 0.533 1.00 0.00 N ATOM 338 CA ASP A 23 -9.272 0.254 1.462 1.00 0.00 C ATOM 339 C ASP A 23 -8.661 0.724 2.783 1.00 0.00 C ATOM 340 O ASP A 23 -8.885 1.856 3.208 1.00 0.00 O ATOM 341 CB ASP A 23 -10.154 -0.961 1.755 1.00 0.00 C ATOM 342 CG ASP A 23 -11.654 -0.670 1.821 1.00 0.00 C ATOM 343 OD1 ASP A 23 -12.371 -1.206 2.680 1.00 0.00 O ATOM 344 OD2 ASP A 23 -12.089 0.155 0.931 1.00 0.00 O ATOM 0 H ASP A 23 -8.156 -1.073 0.284 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.878 1.039 1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.979 -1.713 0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.842 -1.397 2.704 1.00 0.00 H new ATOM 350 N CYS A 24 -7.899 -0.171 3.397 1.00 0.00 N ATOM 351 CA CYS A 24 -7.252 0.139 4.661 1.00 0.00 C ATOM 352 C CYS A 24 -6.263 1.282 4.428 1.00 0.00 C ATOM 353 O CYS A 24 -6.004 2.078 5.330 1.00 0.00 O ATOM 354 CB CYS A 24 -6.570 -1.091 5.263 1.00 0.00 C ATOM 355 SG CYS A 24 -7.817 -2.177 6.047 1.00 0.00 S ATOM 0 H CYS A 24 -7.716 -1.110 3.043 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.001 0.451 5.388 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.036 -1.638 4.486 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.830 -0.782 6.001 1.00 0.00 H new ATOM 0 HG CYS A 24 -7.607 -2.223 7.329 1.00 0.00 H new ATOM 361 N ALA A 25 -5.736 1.329 3.213 1.00 0.00 N ATOM 362 CA ALA A 25 -4.781 2.362 2.851 1.00 0.00 C ATOM 363 C ALA A 25 -5.472 3.726 2.892 1.00 0.00 C ATOM 364 O ALA A 25 -5.200 4.537 3.776 1.00 0.00 O ATOM 365 CB ALA A 25 -4.188 2.050 1.475 1.00 0.00 C ATOM 0 H ALA A 25 -5.953 0.668 2.467 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.956 2.389 3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.471 2.825 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.683 1.084 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.986 2.018 0.734 1.00 0.00 H new ATOM 371 N THR A 26 -6.352 3.938 1.924 1.00 0.00 N ATOM 372 CA THR A 26 -7.084 5.190 1.838 1.00 0.00 C ATOM 373 C THR A 26 -7.679 5.554 3.200 1.00 0.00 C ATOM 374 O THR A 26 -7.571 6.695 3.644 1.00 0.00 O ATOM 375 CB THR A 26 -8.134 5.049 0.735 1.00 0.00 C ATOM 376 OG1 THR A 26 -8.679 6.359 0.605 1.00 0.00 O ATOM 377 CG2 THR A 26 -9.326 4.190 1.165 1.00 0.00 C ATOM 0 H THR A 26 -6.574 3.263 1.192 1.00 0.00 H new ATOM 0 HA THR A 26 -6.424 6.017 1.575 1.00 0.00 H new ATOM 0 HB THR A 26 -7.673 4.611 -0.150 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.368 6.359 -0.092 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.041 4.123 0.345 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.979 3.190 1.426 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.808 4.644 2.030 1.00 0.00 H new ATOM 385 N GLN A 27 -8.294 4.560 3.826 1.00 0.00 N ATOM 386 CA GLN A 27 -8.907 4.762 5.128 1.00 0.00 C ATOM 387 C GLN A 27 -7.860 5.227 6.141 1.00 0.00 C ATOM 388 O GLN A 27 -8.111 6.139 6.927 1.00 0.00 O ATOM 389 CB GLN A 27 -9.607 3.488 5.608 1.00 0.00 C ATOM 390 CG GLN A 27 -10.945 3.297 4.892 1.00 0.00 C ATOM 391 CD GLN A 27 -11.933 2.530 5.775 1.00 0.00 C ATOM 392 OE1 GLN A 27 -11.835 1.328 5.961 1.00 0.00 O ATOM 393 NE2 GLN A 27 -12.887 3.290 6.304 1.00 0.00 N ATOM 0 H GLN A 27 -8.381 3.614 3.456 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.664 5.540 5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.966 2.625 5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.770 3.542 6.684 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.364 4.269 4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.789 2.755 3.959 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.910 4.290 6.107 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.596 2.873 6.907 1.00 0.00 H new ATOM 402 N ALA A 28 -6.705 4.576 6.091 1.00 0.00 N ATOM 403 CA ALA A 28 -5.618 4.912 6.995 1.00 0.00 C ATOM 404 C ALA A 28 -5.317 6.409 6.892 1.00 0.00 C ATOM 405 O ALA A 28 -5.278 7.109 7.902 1.00 0.00 O ATOM 406 CB ALA A 28 -4.398 4.048 6.670 1.00 0.00 C ATOM 0 H ALA A 28 -6.500 3.819 5.439 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.900 4.703 8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.583 4.300 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.656 2.995 6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.085 4.232 5.642 1.00 0.00 H new ATOM 412 N LEU A 29 -5.111 6.854 5.661 1.00 0.00 N ATOM 413 CA LEU A 29 -4.815 8.254 5.412 1.00 0.00 C ATOM 414 C LEU A 29 -6.038 9.102 5.771 1.00 0.00 C ATOM 415 O LEU A 29 -5.908 10.286 6.076 1.00 0.00 O ATOM 416 CB LEU A 29 -4.331 8.453 3.974 1.00 0.00 C ATOM 417 CG LEU A 29 -4.172 9.903 3.514 1.00 0.00 C ATOM 418 CD1 LEU A 29 -2.766 10.152 2.962 1.00 0.00 C ATOM 419 CD2 LEU A 29 -5.258 10.280 2.505 1.00 0.00 C ATOM 0 H LEU A 29 -5.143 6.270 4.826 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.996 8.588 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.371 7.950 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.032 7.955 3.304 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.298 10.552 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.679 11.190 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.029 9.949 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.587 9.494 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.122 11.316 2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.188 9.628 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.239 10.165 2.966 1.00 0.00 H new ATOM 431 N GLU A 30 -7.196 8.462 5.720 1.00 0.00 N ATOM 432 CA GLU A 30 -8.442 9.141 6.036 1.00 0.00 C ATOM 433 C GLU A 30 -8.724 9.061 7.537 1.00 0.00 C ATOM 434 O GLU A 30 -9.810 9.421 7.989 1.00 0.00 O ATOM 435 CB GLU A 30 -9.603 8.561 5.228 1.00 0.00 C ATOM 436 CG GLU A 30 -10.379 9.668 4.511 1.00 0.00 C ATOM 437 CD GLU A 30 -11.547 9.088 3.710 1.00 0.00 C ATOM 438 OE1 GLU A 30 -12.345 8.312 4.254 1.00 0.00 O ATOM 439 OE2 GLU A 30 -11.610 9.474 2.480 1.00 0.00 O ATOM 0 H GLU A 30 -7.299 7.480 5.465 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.341 10.191 5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.222 7.848 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.273 8.012 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.754 10.385 5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.711 10.212 3.844 1.00 0.00 H new ATOM 447 N LYS A 31 -7.727 8.586 8.271 1.00 0.00 N ATOM 448 CA LYS A 31 -7.854 8.455 9.712 1.00 0.00 C ATOM 449 C LYS A 31 -6.593 9.000 10.383 1.00 0.00 C ATOM 450 O LYS A 31 -6.678 9.733 11.369 1.00 0.00 O ATOM 451 CB LYS A 31 -8.176 7.007 10.091 1.00 0.00 C ATOM 452 CG LYS A 31 -7.929 6.764 11.581 1.00 0.00 C ATOM 453 CD LYS A 31 -8.406 5.370 11.995 1.00 0.00 C ATOM 454 CE LYS A 31 -9.898 5.381 12.337 1.00 0.00 C ATOM 455 NZ LYS A 31 -10.353 4.025 12.718 1.00 0.00 N ATOM 0 H LYS A 31 -6.828 8.287 7.894 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.691 9.050 10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.216 6.787 9.850 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.561 6.327 9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.866 6.868 11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.450 7.520 12.168 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.220 4.663 11.187 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.834 5.027 12.857 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.084 6.077 13.155 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.471 5.736 11.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.367 4.051 12.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.193 3.370 11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.819 3.700 13.549 1.00 0.00 H new ATOM 467 N TYR A 32 -5.453 8.624 9.825 1.00 0.00 N ATOM 468 CA TYR A 32 -4.176 9.067 10.355 1.00 0.00 C ATOM 469 C TYR A 32 -3.666 10.299 9.607 1.00 0.00 C ATOM 470 O TYR A 32 -4.393 10.888 8.807 1.00 0.00 O ATOM 471 CB TYR A 32 -3.201 7.909 10.132 1.00 0.00 C ATOM 472 CG TYR A 32 -3.310 6.794 11.174 1.00 0.00 C ATOM 473 CD1 TYR A 32 -2.674 6.924 12.393 1.00 0.00 C ATOM 474 CD2 TYR A 32 -4.041 5.658 10.895 1.00 0.00 C ATOM 475 CE1 TYR A 32 -2.775 5.875 13.373 1.00 0.00 C ATOM 476 CE2 TYR A 32 -4.144 4.608 11.877 1.00 0.00 C ATOM 477 CZ TYR A 32 -3.505 4.768 13.067 1.00 0.00 C ATOM 478 OH TYR A 32 -3.601 3.778 13.993 1.00 0.00 O ATOM 0 H TYR A 32 -5.387 8.016 9.009 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.272 9.336 11.407 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.376 7.486 9.143 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.183 8.299 10.137 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.101 7.813 12.611 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.536 5.555 9.941 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.282 5.964 14.330 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.715 3.715 11.673 1.00 0.00 H new ATOM 0 HH TYR A 32 -4.153 3.051 13.638 1.00 0.00 H new ATOM 488 N ASN A 33 -2.421 10.652 9.890 1.00 0.00 N ATOM 489 CA ASN A 33 -1.806 11.804 9.252 1.00 0.00 C ATOM 490 C ASN A 33 -0.323 11.516 9.010 1.00 0.00 C ATOM 491 O ASN A 33 0.198 11.788 7.930 1.00 0.00 O ATOM 492 CB ASN A 33 -1.908 13.045 10.139 1.00 0.00 C ATOM 493 CG ASN A 33 -1.783 14.325 9.310 1.00 0.00 C ATOM 494 OD1 ASN A 33 -1.339 14.317 8.174 1.00 0.00 O ATOM 495 ND2 ASN A 33 -2.196 15.421 9.940 1.00 0.00 N ATOM 0 H ASN A 33 -1.821 10.161 10.553 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.329 11.988 8.313 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.862 13.041 10.667 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.124 13.020 10.896 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.152 16.326 9.471 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.557 15.357 10.892 1.00 0.00 H new ATOM 502 N ILE A 34 0.316 10.968 10.034 1.00 0.00 N ATOM 503 CA ILE A 34 1.729 10.641 9.947 1.00 0.00 C ATOM 504 C ILE A 34 1.922 9.503 8.942 1.00 0.00 C ATOM 505 O ILE A 34 1.980 8.335 9.325 1.00 0.00 O ATOM 506 CB ILE A 34 2.295 10.337 11.335 1.00 0.00 C ATOM 507 CG1 ILE A 34 1.993 11.478 12.311 1.00 0.00 C ATOM 508 CG2 ILE A 34 3.792 10.028 11.261 1.00 0.00 C ATOM 509 CD1 ILE A 34 1.098 10.998 13.455 1.00 0.00 C ATOM 0 H ILE A 34 -0.119 10.742 10.928 1.00 0.00 H new ATOM 0 HA ILE A 34 2.296 11.495 9.577 1.00 0.00 H new ATOM 0 HB ILE A 34 1.801 9.444 11.718 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.925 11.872 12.715 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.504 12.295 11.781 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.170 9.815 12.261 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.953 9.161 10.620 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.321 10.887 10.849 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.899 11.827 14.134 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.157 10.627 13.049 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.600 10.197 13.998 1.00 0.00 H new ATOM 521 N GLU A 35 2.018 9.885 7.677 1.00 0.00 N ATOM 522 CA GLU A 35 2.205 8.911 6.615 1.00 0.00 C ATOM 523 C GLU A 35 3.030 7.725 7.119 1.00 0.00 C ATOM 524 O GLU A 35 2.718 6.574 6.819 1.00 0.00 O ATOM 525 CB GLU A 35 2.860 9.554 5.390 1.00 0.00 C ATOM 526 CG GLU A 35 1.829 10.318 4.555 1.00 0.00 C ATOM 527 CD GLU A 35 2.272 11.766 4.332 1.00 0.00 C ATOM 528 OE1 GLU A 35 3.479 12.042 4.267 1.00 0.00 O ATOM 529 OE2 GLU A 35 1.310 12.618 4.221 1.00 0.00 O ATOM 0 H GLU A 35 1.970 10.855 7.364 1.00 0.00 H new ATOM 0 HA GLU A 35 1.225 8.543 6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.650 10.234 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.330 8.784 4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.694 9.822 3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.863 10.303 5.060 1.00 0.00 H new ATOM 537 N LYS A 36 4.067 8.048 7.878 1.00 0.00 N ATOM 538 CA LYS A 36 4.939 7.024 8.427 1.00 0.00 C ATOM 539 C LYS A 36 4.093 5.966 9.137 1.00 0.00 C ATOM 540 O LYS A 36 4.214 4.776 8.850 1.00 0.00 O ATOM 541 CB LYS A 36 6.009 7.656 9.320 1.00 0.00 C ATOM 542 CG LYS A 36 7.335 7.799 8.569 1.00 0.00 C ATOM 543 CD LYS A 36 8.363 8.558 9.412 1.00 0.00 C ATOM 544 CE LYS A 36 9.214 9.481 8.538 1.00 0.00 C ATOM 545 NZ LYS A 36 10.647 9.351 8.888 1.00 0.00 N ATOM 0 H LYS A 36 4.323 9.004 8.125 1.00 0.00 H new ATOM 0 HA LYS A 36 5.480 6.516 7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.672 8.635 9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.155 7.042 10.209 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.723 6.812 8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.170 8.326 7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.851 9.144 10.175 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.007 7.849 9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.067 9.234 7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.894 10.514 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.210 9.984 8.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.785 9.609 9.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.953 8.368 8.739 1.00 0.00 H new ATOM 557 N ASP A 37 3.255 6.437 10.048 1.00 0.00 N ATOM 558 CA ASP A 37 2.390 5.545 10.801 1.00 0.00 C ATOM 559 C ASP A 37 1.321 4.971 9.867 1.00 0.00 C ATOM 560 O ASP A 37 0.797 3.886 10.113 1.00 0.00 O ATOM 561 CB ASP A 37 1.677 6.293 11.930 1.00 0.00 C ATOM 562 CG ASP A 37 1.326 5.440 13.150 1.00 0.00 C ATOM 563 OD1 ASP A 37 1.432 4.204 13.117 1.00 0.00 O ATOM 564 OD2 ASP A 37 0.923 6.102 14.181 1.00 0.00 O ATOM 0 H ASP A 37 3.156 7.425 10.282 1.00 0.00 H new ATOM 0 HA ASP A 37 3.008 4.754 11.226 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.309 7.120 12.253 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.760 6.729 11.534 1.00 0.00 H new ATOM 570 N ILE A 38 1.033 5.723 8.817 1.00 0.00 N ATOM 571 CA ILE A 38 0.037 5.303 7.845 1.00 0.00 C ATOM 572 C ILE A 38 0.523 4.034 7.141 1.00 0.00 C ATOM 573 O ILE A 38 -0.208 3.050 7.050 1.00 0.00 O ATOM 574 CB ILE A 38 -0.296 6.449 6.888 1.00 0.00 C ATOM 575 CG1 ILE A 38 -0.670 7.716 7.660 1.00 0.00 C ATOM 576 CG2 ILE A 38 -1.387 6.037 5.897 1.00 0.00 C ATOM 577 CD1 ILE A 38 -1.113 8.828 6.706 1.00 0.00 C ATOM 0 H ILE A 38 1.472 6.622 8.617 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.900 5.054 8.343 1.00 0.00 H new ATOM 0 HB ILE A 38 0.596 6.679 6.306 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.473 7.494 8.363 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.184 8.054 8.247 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.605 6.870 5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.044 5.183 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.290 5.764 6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.373 9.717 7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.300 9.064 6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.982 8.495 6.138 1.00 0.00 H new ATOM 589 N ALA A 39 1.756 4.100 6.658 1.00 0.00 N ATOM 590 CA ALA A 39 2.348 2.969 5.965 1.00 0.00 C ATOM 591 C ALA A 39 2.534 1.813 6.948 1.00 0.00 C ATOM 592 O ALA A 39 2.311 0.654 6.600 1.00 0.00 O ATOM 593 CB ALA A 39 3.666 3.401 5.316 1.00 0.00 C ATOM 0 H ALA A 39 2.360 4.919 6.733 1.00 0.00 H new ATOM 0 HA ALA A 39 1.690 2.621 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.111 2.553 4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.475 4.204 4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.352 3.755 6.086 1.00 0.00 H new ATOM 599 N ALA A 40 2.942 2.167 8.159 1.00 0.00 N ATOM 600 CA ALA A 40 3.160 1.173 9.195 1.00 0.00 C ATOM 601 C ALA A 40 1.821 0.540 9.580 1.00 0.00 C ATOM 602 O ALA A 40 1.770 -0.626 9.970 1.00 0.00 O ATOM 603 CB ALA A 40 3.860 1.826 10.390 1.00 0.00 C ATOM 0 H ALA A 40 3.127 3.129 8.445 1.00 0.00 H new ATOM 0 HA ALA A 40 3.809 0.376 8.831 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.024 1.080 11.168 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.819 2.234 10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.236 2.629 10.783 1.00 0.00 H new ATOM 609 N TYR A 41 0.770 1.337 9.456 1.00 0.00 N ATOM 610 CA TYR A 41 -0.567 0.869 9.786 1.00 0.00 C ATOM 611 C TYR A 41 -1.075 -0.122 8.738 1.00 0.00 C ATOM 612 O TYR A 41 -1.719 -1.113 9.075 1.00 0.00 O ATOM 613 CB TYR A 41 -1.461 2.109 9.776 1.00 0.00 C ATOM 614 CG TYR A 41 -2.959 1.796 9.742 1.00 0.00 C ATOM 615 CD1 TYR A 41 -3.658 1.644 10.922 1.00 0.00 C ATOM 616 CD2 TYR A 41 -3.610 1.664 8.533 1.00 0.00 C ATOM 617 CE1 TYR A 41 -5.068 1.349 10.890 1.00 0.00 C ATOM 618 CE2 TYR A 41 -5.019 1.369 8.501 1.00 0.00 C ATOM 619 CZ TYR A 41 -5.678 1.226 9.682 1.00 0.00 C ATOM 620 OH TYR A 41 -7.009 0.947 9.652 1.00 0.00 O ATOM 0 H TYR A 41 0.816 2.303 9.132 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.569 0.360 10.750 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.245 2.707 10.661 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.208 2.720 8.909 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.149 1.746 11.869 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.062 1.782 7.610 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.628 1.228 11.806 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.540 1.264 7.561 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.310 0.889 8.721 1.00 0.00 H new ATOM 630 N ILE A 42 -0.766 0.181 7.485 1.00 0.00 N ATOM 631 CA ILE A 42 -1.184 -0.670 6.384 1.00 0.00 C ATOM 632 C ILE A 42 -0.456 -2.013 6.479 1.00 0.00 C ATOM 633 O ILE A 42 -1.089 -3.059 6.616 1.00 0.00 O ATOM 634 CB ILE A 42 -0.981 0.045 5.047 1.00 0.00 C ATOM 635 CG1 ILE A 42 -1.735 1.376 5.018 1.00 0.00 C ATOM 636 CG2 ILE A 42 -1.372 -0.860 3.877 1.00 0.00 C ATOM 637 CD1 ILE A 42 -1.127 2.327 3.985 1.00 0.00 C ATOM 0 H ILE A 42 -0.231 1.004 7.208 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.252 -0.879 6.449 1.00 0.00 H new ATOM 0 HB ILE A 42 0.079 0.272 4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.784 1.199 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.704 1.837 6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.218 -0.328 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.755 -1.758 3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.422 -1.139 3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.681 3.266 3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.085 2.521 4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.182 1.873 2.996 1.00 0.00 H new ATOM 649 N LYS A 43 0.865 -1.941 6.403 1.00 0.00 N ATOM 650 CA LYS A 43 1.685 -3.138 6.480 1.00 0.00 C ATOM 651 C LYS A 43 1.269 -3.960 7.700 1.00 0.00 C ATOM 652 O LYS A 43 0.995 -5.154 7.584 1.00 0.00 O ATOM 653 CB LYS A 43 3.171 -2.771 6.463 1.00 0.00 C ATOM 654 CG LYS A 43 4.008 -3.843 7.164 1.00 0.00 C ATOM 655 CD LYS A 43 4.382 -3.407 8.582 1.00 0.00 C ATOM 656 CE LYS A 43 5.492 -2.354 8.558 1.00 0.00 C ATOM 657 NZ LYS A 43 5.840 -1.937 9.934 1.00 0.00 N ATOM 0 H LYS A 43 1.388 -1.072 6.289 1.00 0.00 H new ATOM 0 HA LYS A 43 1.525 -3.766 5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.509 -2.656 5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.318 -1.810 6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.449 -4.778 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.913 -4.036 6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.504 -3.003 9.085 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.710 -4.273 9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.374 -2.758 8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.168 -1.488 7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.595 -1.222 9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.001 -1.533 10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.169 -2.762 10.474 1.00 0.00 H new ATOM 669 N LYS A 44 1.232 -3.289 8.842 1.00 0.00 N ATOM 670 CA LYS A 44 0.852 -3.944 10.083 1.00 0.00 C ATOM 671 C LYS A 44 -0.575 -4.477 9.956 1.00 0.00 C ATOM 672 O LYS A 44 -0.889 -5.550 10.469 1.00 0.00 O ATOM 673 CB LYS A 44 1.054 -3.000 11.269 1.00 0.00 C ATOM 674 CG LYS A 44 0.533 -3.626 12.564 1.00 0.00 C ATOM 675 CD LYS A 44 -0.831 -3.047 12.945 1.00 0.00 C ATOM 676 CE LYS A 44 -0.676 -1.879 13.920 1.00 0.00 C ATOM 677 NZ LYS A 44 -1.121 -2.273 15.276 1.00 0.00 N ATOM 0 H LYS A 44 1.459 -2.299 8.934 1.00 0.00 H new ATOM 0 HA LYS A 44 1.496 -4.802 10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.113 -2.765 11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.536 -2.059 11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.452 -4.706 12.443 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.245 -3.448 13.370 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.351 -2.710 12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.447 -3.824 13.398 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.366 -1.559 13.951 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.260 -1.027 13.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.009 -1.469 15.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.121 -2.556 15.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.546 -3.072 15.612 1.00 0.00 H new ATOM 689 N GLU A 45 -1.405 -3.702 9.272 1.00 0.00 N ATOM 690 CA GLU A 45 -2.792 -4.083 9.073 1.00 0.00 C ATOM 691 C GLU A 45 -2.875 -5.473 8.438 1.00 0.00 C ATOM 692 O GLU A 45 -3.583 -6.345 8.939 1.00 0.00 O ATOM 693 CB GLU A 45 -3.529 -3.047 8.220 1.00 0.00 C ATOM 694 CG GLU A 45 -4.507 -2.235 9.070 1.00 0.00 C ATOM 695 CD GLU A 45 -5.796 -3.019 9.322 1.00 0.00 C ATOM 696 OE1 GLU A 45 -6.837 -2.711 8.725 1.00 0.00 O ATOM 697 OE2 GLU A 45 -5.690 -3.981 10.175 1.00 0.00 O ATOM 0 H GLU A 45 -1.142 -2.812 8.849 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.281 -4.119 10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.808 -2.378 7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.069 -3.549 7.417 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.041 -1.979 10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.740 -1.297 8.566 1.00 0.00 H new ATOM 705 N PHE A 46 -2.143 -5.636 7.346 1.00 0.00 N ATOM 706 CA PHE A 46 -2.124 -6.904 6.640 1.00 0.00 C ATOM 707 C PHE A 46 -1.279 -7.938 7.387 1.00 0.00 C ATOM 708 O PHE A 46 -1.800 -8.949 7.855 1.00 0.00 O ATOM 709 CB PHE A 46 -1.495 -6.644 5.269 1.00 0.00 C ATOM 710 CG PHE A 46 -2.512 -6.484 4.137 1.00 0.00 C ATOM 711 CD1 PHE A 46 -3.580 -7.323 4.059 1.00 0.00 C ATOM 712 CD2 PHE A 46 -2.348 -5.502 3.210 1.00 0.00 C ATOM 713 CE1 PHE A 46 -4.524 -7.174 3.008 1.00 0.00 C ATOM 714 CE2 PHE A 46 -3.292 -5.354 2.159 1.00 0.00 C ATOM 715 CZ PHE A 46 -4.360 -6.193 2.081 1.00 0.00 C ATOM 0 H PHE A 46 -1.558 -4.909 6.933 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.137 -7.296 6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.885 -5.742 5.326 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.824 -7.468 5.027 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.710 -8.102 4.796 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.501 -4.835 3.273 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.372 -7.840 2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.162 -4.575 1.422 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.078 -6.080 1.282 1.00 0.00 H new ATOM 725 N ASP A 47 0.010 -7.647 7.478 1.00 0.00 N ATOM 726 CA ASP A 47 0.931 -8.537 8.161 1.00 0.00 C ATOM 727 C ASP A 47 0.244 -9.129 9.394 1.00 0.00 C ATOM 728 O ASP A 47 0.507 -10.271 9.767 1.00 0.00 O ATOM 729 CB ASP A 47 2.179 -7.785 8.633 1.00 0.00 C ATOM 730 CG ASP A 47 2.257 -7.542 10.140 1.00 0.00 C ATOM 731 OD1 ASP A 47 3.219 -7.952 10.804 1.00 0.00 O ATOM 732 OD2 ASP A 47 1.261 -6.891 10.640 1.00 0.00 O ATOM 0 H ASP A 47 0.438 -6.807 7.090 1.00 0.00 H new ATOM 0 HA ASP A 47 1.224 -9.319 7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.061 -8.346 8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.219 -6.823 8.123 1.00 0.00 H new ATOM 738 N LYS A 48 -0.625 -8.325 9.991 1.00 0.00 N ATOM 739 CA LYS A 48 -1.352 -8.754 11.172 1.00 0.00 C ATOM 740 C LYS A 48 -1.688 -10.242 11.047 1.00 0.00 C ATOM 741 O LYS A 48 -1.052 -11.081 11.683 1.00 0.00 O ATOM 742 CB LYS A 48 -2.575 -7.865 11.401 1.00 0.00 C ATOM 743 CG LYS A 48 -3.435 -8.401 12.547 1.00 0.00 C ATOM 744 CD LYS A 48 -2.760 -8.159 13.899 1.00 0.00 C ATOM 745 CE LYS A 48 -3.310 -6.899 14.570 1.00 0.00 C ATOM 746 NZ LYS A 48 -4.739 -7.079 14.918 1.00 0.00 N ATOM 0 H LYS A 48 -0.841 -7.379 9.678 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.733 -8.640 12.062 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.253 -6.849 11.628 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.169 -7.815 10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.411 -7.916 12.532 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.608 -9.468 12.409 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.920 -9.020 14.548 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.684 -8.060 13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.735 -6.678 15.470 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.197 -6.045 13.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.969 -6.500 15.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.332 -6.783 14.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.921 -8.080 15.131 1.00 0.00 H new ATOM 758 N LYS A 49 -2.685 -10.523 10.221 1.00 0.00 N ATOM 759 CA LYS A 49 -3.113 -11.895 10.003 1.00 0.00 C ATOM 760 C LYS A 49 -3.408 -12.103 8.517 1.00 0.00 C ATOM 761 O LYS A 49 -4.554 -12.336 8.134 1.00 0.00 O ATOM 762 CB LYS A 49 -4.288 -12.240 10.918 1.00 0.00 C ATOM 763 CG LYS A 49 -3.837 -13.125 12.082 1.00 0.00 C ATOM 764 CD LYS A 49 -5.037 -13.620 12.892 1.00 0.00 C ATOM 765 CE LYS A 49 -4.604 -14.646 13.941 1.00 0.00 C ATOM 766 NZ LYS A 49 -4.150 -15.895 13.289 1.00 0.00 N ATOM 0 H LYS A 49 -3.209 -9.824 9.694 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.317 -12.590 10.269 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.733 -11.323 11.305 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.061 -12.753 10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.276 -13.977 11.699 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.163 -12.564 12.730 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.523 -12.776 13.382 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.773 -14.067 12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.800 -14.234 14.551 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.435 -14.861 14.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.135 -16.666 13.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.802 -16.140 12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.193 -15.758 12.905 1.00 0.00 H new ATOM 778 N TYR A 50 -2.355 -12.009 7.718 1.00 0.00 N ATOM 779 CA TYR A 50 -2.488 -12.184 6.282 1.00 0.00 C ATOM 780 C TYR A 50 -1.325 -13.006 5.720 1.00 0.00 C ATOM 781 O TYR A 50 -1.517 -14.135 5.274 1.00 0.00 O ATOM 782 CB TYR A 50 -2.440 -10.779 5.680 1.00 0.00 C ATOM 783 CG TYR A 50 -3.087 -10.672 4.297 1.00 0.00 C ATOM 784 CD1 TYR A 50 -4.267 -11.339 4.034 1.00 0.00 C ATOM 785 CD2 TYR A 50 -2.491 -9.909 3.314 1.00 0.00 C ATOM 786 CE1 TYR A 50 -4.876 -11.237 2.733 1.00 0.00 C ATOM 787 CE2 TYR A 50 -3.099 -9.809 2.012 1.00 0.00 C ATOM 788 CZ TYR A 50 -4.261 -10.478 1.785 1.00 0.00 C ATOM 789 OH TYR A 50 -4.837 -10.383 0.557 1.00 0.00 O ATOM 0 H TYR A 50 -1.406 -11.814 8.038 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.412 -12.710 6.043 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.940 -10.087 6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.400 -10.461 5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.733 -11.937 4.803 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.569 -9.387 3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.800 -11.751 2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.642 -9.216 1.233 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.662 -10.912 0.541 1.00 0.00 H new ATOM 799 N ASN A 51 -0.144 -12.405 5.759 1.00 0.00 N ATOM 800 CA ASN A 51 1.050 -13.067 5.260 1.00 0.00 C ATOM 801 C ASN A 51 2.268 -12.185 5.535 1.00 0.00 C ATOM 802 O ASN A 51 2.824 -11.584 4.617 1.00 0.00 O ATOM 803 CB ASN A 51 0.961 -13.295 3.751 1.00 0.00 C ATOM 804 CG ASN A 51 1.757 -14.536 3.336 1.00 0.00 C ATOM 805 OD1 ASN A 51 2.610 -15.025 4.055 1.00 0.00 O ATOM 806 ND2 ASN A 51 1.430 -15.012 2.138 1.00 0.00 N ATOM 0 H ASN A 51 0.011 -11.467 6.128 1.00 0.00 H new ATOM 0 HA ASN A 51 1.140 -14.029 5.765 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.082 -13.413 3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.343 -12.421 3.224 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.904 -15.836 1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.705 -14.553 1.587 1.00 0.00 H new ATOM 813 N PRO A 52 2.661 -12.136 6.837 1.00 0.00 N ATOM 814 CA PRO A 52 3.804 -11.337 7.244 1.00 0.00 C ATOM 815 C PRO A 52 5.116 -12.013 6.840 1.00 0.00 C ATOM 816 O PRO A 52 5.147 -13.216 6.585 1.00 0.00 O ATOM 817 CB PRO A 52 3.657 -11.177 8.749 1.00 0.00 C ATOM 818 CG PRO A 52 2.702 -12.273 9.192 1.00 0.00 C ATOM 819 CD PRO A 52 2.026 -12.833 7.950 1.00 0.00 C ATOM 0 HA PRO A 52 3.833 -10.363 6.755 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.621 -11.273 9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.265 -10.192 9.001 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.242 -13.059 9.720 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.960 -11.876 9.884 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.167 -13.911 7.874 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.951 -12.653 7.969 1.00 0.00 H new ATOM 827 N THR A 53 6.168 -11.209 6.794 1.00 0.00 N ATOM 828 CA THR A 53 6.046 -9.796 7.111 1.00 0.00 C ATOM 829 C THR A 53 5.958 -8.968 5.828 1.00 0.00 C ATOM 830 O THR A 53 6.403 -9.406 4.769 1.00 0.00 O ATOM 831 CB THR A 53 7.226 -9.408 8.004 1.00 0.00 C ATOM 832 OG1 THR A 53 7.085 -8.001 8.174 1.00 0.00 O ATOM 833 CG2 THR A 53 8.573 -9.566 7.297 1.00 0.00 C ATOM 0 H THR A 53 7.110 -11.509 6.542 1.00 0.00 H new ATOM 0 HA THR A 53 5.125 -9.591 7.657 1.00 0.00 H new ATOM 0 HB THR A 53 7.216 -10.021 8.905 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.809 -7.666 8.743 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.376 -9.277 7.975 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.707 -10.605 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.597 -8.928 6.414 1.00 0.00 H new ATOM 841 N TRP A 54 5.379 -7.784 5.965 1.00 0.00 N ATOM 842 CA TRP A 54 5.226 -6.889 4.830 1.00 0.00 C ATOM 843 C TRP A 54 6.189 -5.714 5.021 1.00 0.00 C ATOM 844 O TRP A 54 6.608 -5.427 6.140 1.00 0.00 O ATOM 845 CB TRP A 54 3.771 -6.450 4.670 1.00 0.00 C ATOM 846 CG TRP A 54 2.790 -7.605 4.457 1.00 0.00 C ATOM 847 CD1 TRP A 54 2.382 -8.516 5.349 1.00 0.00 C ATOM 848 CD2 TRP A 54 2.108 -7.937 3.228 1.00 0.00 C ATOM 849 NE1 TRP A 54 1.491 -9.409 4.789 1.00 0.00 N ATOM 850 CE2 TRP A 54 1.319 -9.045 3.459 1.00 0.00 C ATOM 851 CE3 TRP A 54 2.157 -7.322 1.965 1.00 0.00 C ATOM 852 CZ2 TRP A 54 0.518 -9.634 2.473 1.00 0.00 C ATOM 853 CZ3 TRP A 54 1.351 -7.922 0.991 1.00 0.00 C ATOM 854 CH2 TRP A 54 0.550 -9.038 1.207 1.00 0.00 C ATOM 0 H TRP A 54 5.010 -7.423 6.845 1.00 0.00 H new ATOM 0 HA TRP A 54 5.479 -7.399 3.900 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.471 -5.892 5.557 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.700 -5.766 3.824 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.709 -8.548 6.378 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.042 -10.192 5.264 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.768 -6.455 1.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.092 -10.501 2.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.351 -7.488 0.002 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.045 -9.443 0.402 1.00 0.00 H new ATOM 865 N HIS A 55 6.510 -5.068 3.910 1.00 0.00 N ATOM 866 CA HIS A 55 7.414 -3.931 3.941 1.00 0.00 C ATOM 867 C HIS A 55 6.924 -2.858 2.966 1.00 0.00 C ATOM 868 O HIS A 55 6.973 -3.050 1.752 1.00 0.00 O ATOM 869 CB HIS A 55 8.852 -4.373 3.662 1.00 0.00 C ATOM 870 CG HIS A 55 9.310 -5.541 4.504 1.00 0.00 C ATOM 871 ND1 HIS A 55 10.245 -5.414 5.517 1.00 0.00 N ATOM 872 CD2 HIS A 55 8.951 -6.857 4.473 1.00 0.00 C ATOM 873 CE1 HIS A 55 10.433 -6.605 6.065 1.00 0.00 C ATOM 874 NE2 HIS A 55 9.631 -7.499 5.416 1.00 0.00 N ATOM 0 H HIS A 55 6.160 -5.310 2.983 1.00 0.00 H new ATOM 0 HA HIS A 55 7.417 -3.492 4.939 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.941 -4.640 2.609 1.00 0.00 H new ATOM 0 HB3 HIS A 55 9.521 -3.530 3.835 1.00 0.00 H new ATOM 0 HD1 HIS A 55 10.710 -4.550 5.794 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.236 -7.301 3.797 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.103 -6.829 6.882 1.00 0.00 H new ATOM 882 N CYS A 56 6.464 -1.753 3.534 1.00 0.00 N ATOM 883 CA CYS A 56 5.964 -0.652 2.730 1.00 0.00 C ATOM 884 C CYS A 56 6.817 0.584 3.029 1.00 0.00 C ATOM 885 O CYS A 56 7.406 0.691 4.102 1.00 0.00 O ATOM 886 CB CYS A 56 4.477 -0.394 2.983 1.00 0.00 C ATOM 887 SG CYS A 56 4.011 1.256 2.345 1.00 0.00 S ATOM 0 H CYS A 56 6.427 -1.597 4.541 1.00 0.00 H new ATOM 0 HA CYS A 56 6.045 -0.904 1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.878 -1.164 2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.266 -0.453 4.051 1.00 0.00 H new ATOM 0 HG CYS A 56 4.601 1.463 1.205 1.00 0.00 H new ATOM 893 N ILE A 57 6.853 1.487 2.060 1.00 0.00 N ATOM 894 CA ILE A 57 7.623 2.710 2.206 1.00 0.00 C ATOM 895 C ILE A 57 6.786 3.895 1.719 1.00 0.00 C ATOM 896 O ILE A 57 5.775 3.709 1.043 1.00 0.00 O ATOM 897 CB ILE A 57 8.973 2.580 1.499 1.00 0.00 C ATOM 898 CG1 ILE A 57 9.822 1.477 2.135 1.00 0.00 C ATOM 899 CG2 ILE A 57 9.707 3.923 1.470 1.00 0.00 C ATOM 900 CD1 ILE A 57 10.304 1.890 3.527 1.00 0.00 C ATOM 0 H ILE A 57 6.361 1.396 1.171 1.00 0.00 H new ATOM 0 HA ILE A 57 7.855 2.892 3.255 1.00 0.00 H new ATOM 0 HB ILE A 57 8.790 2.289 0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.238 0.559 2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.680 1.261 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.664 3.804 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.102 4.657 0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.878 4.266 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.905 1.088 3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 57 10.907 2.794 3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.443 2.082 4.168 1.00 0.00 H new ATOM 912 N VAL A 58 7.238 5.086 2.082 1.00 0.00 N ATOM 913 CA VAL A 58 6.543 6.302 1.692 1.00 0.00 C ATOM 914 C VAL A 58 7.545 7.282 1.082 1.00 0.00 C ATOM 915 O VAL A 58 8.100 8.127 1.785 1.00 0.00 O ATOM 916 CB VAL A 58 5.790 6.882 2.891 1.00 0.00 C ATOM 917 CG1 VAL A 58 5.130 8.214 2.530 1.00 0.00 C ATOM 918 CG2 VAL A 58 4.760 5.886 3.426 1.00 0.00 C ATOM 0 H VAL A 58 8.077 5.236 2.642 1.00 0.00 H new ATOM 0 HA VAL A 58 5.794 6.087 0.930 1.00 0.00 H new ATOM 0 HB VAL A 58 6.515 7.071 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.601 8.605 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.894 8.926 2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.424 8.061 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.239 6.323 4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.040 5.651 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.266 4.973 3.740 1.00 0.00 H new ATOM 928 N GLY A 59 7.747 7.142 -0.219 1.00 0.00 N ATOM 929 CA GLY A 59 8.672 8.006 -0.932 1.00 0.00 C ATOM 930 C GLY A 59 8.012 8.615 -2.171 1.00 0.00 C ATOM 931 O GLY A 59 7.286 9.602 -2.071 1.00 0.00 O ATOM 0 H GLY A 59 7.285 6.442 -0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.015 8.802 -0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.553 7.436 -1.228 1.00 0.00 H new ATOM 935 N ARG A 60 8.288 7.999 -3.312 1.00 0.00 N ATOM 936 CA ARG A 60 7.729 8.466 -4.569 1.00 0.00 C ATOM 937 C ARG A 60 7.668 7.321 -5.581 1.00 0.00 C ATOM 938 O ARG A 60 6.673 7.167 -6.288 1.00 0.00 O ATOM 939 CB ARG A 60 8.564 9.608 -5.152 1.00 0.00 C ATOM 940 CG ARG A 60 7.686 10.818 -5.481 1.00 0.00 C ATOM 941 CD ARG A 60 7.612 11.045 -6.992 1.00 0.00 C ATOM 942 NE ARG A 60 6.909 12.315 -7.279 1.00 0.00 N ATOM 943 CZ ARG A 60 6.826 12.874 -8.506 1.00 0.00 C ATOM 944 NH1 ARG A 60 7.402 12.277 -9.571 1.00 0.00 N ATOM 945 NH2 ARG A 60 6.173 14.011 -8.647 1.00 0.00 N ATOM 0 H ARG A 60 8.891 7.181 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 60 6.722 8.832 -4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.337 9.898 -4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.073 9.267 -6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.683 10.663 -5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.088 11.707 -4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.617 11.073 -7.414 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.090 10.215 -7.468 1.00 0.00 H new ATOM 0 HE ARG A 60 6.459 12.799 -6.502 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.904 11.397 -9.453 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.335 12.706 -10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.740 14.455 -7.837 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.101 14.447 -9.566 1.00 0.00 H new ATOM 958 N ASN A 61 8.743 6.549 -5.619 1.00 0.00 N ATOM 959 CA ASN A 61 8.824 5.423 -6.534 1.00 0.00 C ATOM 960 C ASN A 61 9.347 4.197 -5.781 1.00 0.00 C ATOM 961 O ASN A 61 9.401 4.194 -4.552 1.00 0.00 O ATOM 962 CB ASN A 61 9.787 5.716 -7.685 1.00 0.00 C ATOM 963 CG ASN A 61 9.158 5.353 -9.032 1.00 0.00 C ATOM 964 OD1 ASN A 61 8.238 5.997 -9.510 1.00 0.00 O ATOM 965 ND2 ASN A 61 9.701 4.289 -9.614 1.00 0.00 N ATOM 0 H ASN A 61 9.566 6.681 -5.031 1.00 0.00 H new ATOM 0 HA ASN A 61 7.827 5.243 -6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 61 10.057 6.772 -7.678 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.709 5.151 -7.546 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.350 3.966 -10.515 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.469 3.795 -9.159 1.00 0.00 H new ATOM 972 N PHE A 62 9.719 3.184 -6.550 1.00 0.00 N ATOM 973 CA PHE A 62 10.235 1.955 -5.971 1.00 0.00 C ATOM 974 C PHE A 62 11.752 1.858 -6.156 1.00 0.00 C ATOM 975 O PHE A 62 12.453 2.867 -6.101 1.00 0.00 O ATOM 976 CB PHE A 62 9.568 0.796 -6.715 1.00 0.00 C ATOM 977 CG PHE A 62 9.298 -0.429 -5.841 1.00 0.00 C ATOM 978 CD1 PHE A 62 9.963 -0.588 -4.665 1.00 0.00 C ATOM 979 CD2 PHE A 62 8.389 -1.361 -6.237 1.00 0.00 C ATOM 980 CE1 PHE A 62 9.712 -1.724 -3.853 1.00 0.00 C ATOM 981 CE2 PHE A 62 8.138 -2.498 -5.427 1.00 0.00 C ATOM 982 CZ PHE A 62 8.804 -2.657 -4.251 1.00 0.00 C ATOM 0 H PHE A 62 9.673 3.189 -7.569 1.00 0.00 H new ATOM 0 HA PHE A 62 10.023 1.928 -4.902 1.00 0.00 H new ATOM 0 HB2 PHE A 62 8.625 1.143 -7.138 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.202 0.501 -7.551 1.00 0.00 H new ATOM 0 HD1 PHE A 62 10.683 0.152 -4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.858 -1.235 -7.169 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.241 -1.849 -2.920 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.418 -3.238 -5.744 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.612 -3.522 -3.634 1.00 0.00 H new ATOM 992 N GLY A 63 12.212 0.635 -6.369 1.00 0.00 N ATOM 993 CA GLY A 63 13.632 0.393 -6.562 1.00 0.00 C ATOM 994 C GLY A 63 13.877 -1.005 -7.134 1.00 0.00 C ATOM 995 O GLY A 63 14.095 -1.158 -8.335 1.00 0.00 O ATOM 0 H GLY A 63 11.627 -0.200 -6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.044 1.143 -7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.155 0.498 -5.611 1.00 0.00 H new ATOM 999 N SER A 64 13.834 -1.989 -6.247 1.00 0.00 N ATOM 1000 CA SER A 64 14.049 -3.369 -6.650 1.00 0.00 C ATOM 1001 C SER A 64 12.705 -4.077 -6.826 1.00 0.00 C ATOM 1002 O SER A 64 12.202 -4.703 -5.894 1.00 0.00 O ATOM 1003 CB SER A 64 14.912 -4.112 -5.628 1.00 0.00 C ATOM 1004 OG SER A 64 14.260 -4.234 -4.368 1.00 0.00 O ATOM 0 H SER A 64 13.654 -1.858 -5.252 1.00 0.00 H new ATOM 0 HA SER A 64 14.580 -3.370 -7.602 1.00 0.00 H new ATOM 0 HB2 SER A 64 15.152 -5.104 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 64 15.856 -3.583 -5.498 1.00 0.00 H new ATOM 0 HG SER A 64 13.347 -4.564 -4.503 1.00 0.00 H new ATOM 1010 N TYR A 65 12.160 -3.956 -8.028 1.00 0.00 N ATOM 1011 CA TYR A 65 10.884 -4.578 -8.338 1.00 0.00 C ATOM 1012 C TYR A 65 10.957 -5.351 -9.657 1.00 0.00 C ATOM 1013 O TYR A 65 10.477 -6.480 -9.745 1.00 0.00 O ATOM 1014 CB TYR A 65 9.883 -3.431 -8.489 1.00 0.00 C ATOM 1015 CG TYR A 65 8.722 -3.739 -9.436 1.00 0.00 C ATOM 1016 CD1 TYR A 65 7.864 -4.785 -9.159 1.00 0.00 C ATOM 1017 CD2 TYR A 65 8.532 -2.973 -10.569 1.00 0.00 C ATOM 1018 CE1 TYR A 65 6.771 -5.075 -10.052 1.00 0.00 C ATOM 1019 CE2 TYR A 65 7.439 -3.263 -11.460 1.00 0.00 C ATOM 1020 CZ TYR A 65 6.613 -4.301 -11.158 1.00 0.00 C ATOM 1021 OH TYR A 65 5.580 -4.575 -12.001 1.00 0.00 O ATOM 0 H TYR A 65 12.579 -3.436 -8.799 1.00 0.00 H new ATOM 0 HA TYR A 65 10.600 -5.282 -7.556 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.481 -3.182 -7.507 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.410 -2.548 -8.851 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.012 -5.385 -8.274 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.204 -2.156 -10.787 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.092 -5.890 -9.847 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.278 -2.670 -12.348 1.00 0.00 H new ATOM 0 HH TYR A 65 5.590 -3.940 -12.748 1.00 0.00 H new ATOM 1031 N VAL A 66 11.562 -4.713 -10.647 1.00 0.00 N ATOM 1032 CA VAL A 66 11.704 -5.327 -11.957 1.00 0.00 C ATOM 1033 C VAL A 66 13.039 -6.072 -12.024 1.00 0.00 C ATOM 1034 O VAL A 66 13.698 -6.079 -13.063 1.00 0.00 O ATOM 1035 CB VAL A 66 11.555 -4.268 -13.050 1.00 0.00 C ATOM 1036 CG1 VAL A 66 12.744 -3.306 -13.050 1.00 0.00 C ATOM 1037 CG2 VAL A 66 11.377 -4.919 -14.424 1.00 0.00 C ATOM 0 H VAL A 66 11.960 -3.777 -10.569 1.00 0.00 H new ATOM 0 HA VAL A 66 10.914 -6.059 -12.123 1.00 0.00 H new ATOM 0 HB VAL A 66 10.657 -3.689 -12.834 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.611 -2.564 -13.837 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.806 -2.804 -12.084 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.663 -3.864 -13.228 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.273 -4.144 -15.183 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.248 -5.535 -14.650 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.483 -5.543 -14.418 1.00 0.00 H new ATOM 1047 N THR A 67 13.397 -6.680 -10.903 1.00 0.00 N ATOM 1048 CA THR A 67 14.642 -7.427 -10.822 1.00 0.00 C ATOM 1049 C THR A 67 14.554 -8.493 -9.728 1.00 0.00 C ATOM 1050 O THR A 67 14.724 -9.681 -9.999 1.00 0.00 O ATOM 1051 CB THR A 67 15.779 -6.426 -10.605 1.00 0.00 C ATOM 1052 OG1 THR A 67 16.889 -7.238 -10.235 1.00 0.00 O ATOM 1053 CG2 THR A 67 15.548 -5.533 -9.385 1.00 0.00 C ATOM 0 H THR A 67 12.848 -6.671 -10.044 1.00 0.00 H new ATOM 0 HA THR A 67 14.839 -7.970 -11.746 1.00 0.00 H new ATOM 0 HB THR A 67 15.890 -5.805 -11.494 1.00 0.00 H new ATOM 0 HG1 THR A 67 17.672 -6.670 -10.077 1.00 0.00 H new ATOM 0 HG21 THR A 67 16.384 -4.842 -9.277 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.625 -4.969 -9.517 1.00 0.00 H new ATOM 0 HG23 THR A 67 15.471 -6.151 -8.491 1.00 0.00 H new ATOM 1061 N HIS A 68 14.288 -8.030 -8.515 1.00 0.00 N ATOM 1062 CA HIS A 68 14.176 -8.930 -7.380 1.00 0.00 C ATOM 1063 C HIS A 68 12.702 -9.248 -7.122 1.00 0.00 C ATOM 1064 O HIS A 68 12.371 -10.340 -6.661 1.00 0.00 O ATOM 1065 CB HIS A 68 14.880 -8.347 -6.153 1.00 0.00 C ATOM 1066 CG HIS A 68 14.937 -9.286 -4.973 1.00 0.00 C ATOM 1067 ND1 HIS A 68 15.781 -10.380 -4.925 1.00 0.00 N ATOM 1068 CD2 HIS A 68 14.245 -9.282 -3.797 1.00 0.00 C ATOM 1069 CE1 HIS A 68 15.598 -11.003 -3.770 1.00 0.00 C ATOM 1070 NE2 HIS A 68 14.645 -10.319 -3.072 1.00 0.00 N ATOM 0 H HIS A 68 14.147 -7.044 -8.294 1.00 0.00 H new ATOM 0 HA HIS A 68 14.681 -9.869 -7.604 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.896 -8.066 -6.430 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.367 -7.433 -5.853 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.499 -8.558 -3.506 1.00 0.00 H new ATOM 0 HE1 HIS A 68 16.112 -11.894 -3.440 1.00 0.00 H new ATOM 0 HE2 HIS A 68 14.297 -10.565 -2.145 1.00 0.00 H new ATOM 1078 N GLU A 69 11.857 -8.277 -7.430 1.00 0.00 N ATOM 1079 CA GLU A 69 10.425 -8.441 -7.238 1.00 0.00 C ATOM 1080 C GLU A 69 10.142 -9.053 -5.865 1.00 0.00 C ATOM 1081 O GLU A 69 11.050 -9.207 -5.050 1.00 0.00 O ATOM 1082 CB GLU A 69 9.816 -9.290 -8.354 1.00 0.00 C ATOM 1083 CG GLU A 69 10.482 -10.665 -8.423 1.00 0.00 C ATOM 1084 CD GLU A 69 9.748 -11.581 -9.405 1.00 0.00 C ATOM 1085 OE1 GLU A 69 9.429 -12.730 -9.062 1.00 0.00 O ATOM 1086 OE2 GLU A 69 9.510 -11.061 -10.560 1.00 0.00 O ATOM 0 H GLU A 69 12.135 -7.373 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 69 9.957 -7.458 -7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.746 -9.409 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.931 -8.778 -9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.522 -10.554 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.490 -11.120 -7.432 1.00 0.00 H new ATOM 1094 N THR A 70 8.877 -9.386 -5.651 1.00 0.00 N ATOM 1095 CA THR A 70 8.463 -9.979 -4.392 1.00 0.00 C ATOM 1096 C THR A 70 7.282 -10.929 -4.612 1.00 0.00 C ATOM 1097 O THR A 70 7.187 -11.575 -5.655 1.00 0.00 O ATOM 1098 CB THR A 70 8.154 -8.844 -3.413 1.00 0.00 C ATOM 1099 OG1 THR A 70 6.933 -8.290 -3.899 1.00 0.00 O ATOM 1100 CG2 THR A 70 9.153 -7.690 -3.521 1.00 0.00 C ATOM 0 H THR A 70 8.126 -9.256 -6.329 1.00 0.00 H new ATOM 0 HA THR A 70 9.257 -10.591 -3.964 1.00 0.00 H new ATOM 0 HB THR A 70 8.155 -9.233 -2.395 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.908 -8.361 -4.876 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.888 -6.912 -2.805 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.157 -8.056 -3.304 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.127 -7.279 -4.530 1.00 0.00 H new ATOM 1108 N ARG A 71 6.414 -10.982 -3.613 1.00 0.00 N ATOM 1109 CA ARG A 71 5.244 -11.842 -3.685 1.00 0.00 C ATOM 1110 C ARG A 71 3.989 -11.009 -3.950 1.00 0.00 C ATOM 1111 O ARG A 71 3.353 -11.151 -4.994 1.00 0.00 O ATOM 1112 CB ARG A 71 5.060 -12.631 -2.386 1.00 0.00 C ATOM 1113 CG ARG A 71 6.246 -13.563 -2.138 1.00 0.00 C ATOM 1114 CD ARG A 71 5.898 -15.006 -2.511 1.00 0.00 C ATOM 1115 NE ARG A 71 6.142 -15.230 -3.953 1.00 0.00 N ATOM 1116 CZ ARG A 71 5.636 -16.266 -4.655 1.00 0.00 C ATOM 1117 NH1 ARG A 71 4.851 -17.184 -4.050 1.00 0.00 N ATOM 1118 NH2 ARG A 71 5.920 -16.368 -5.939 1.00 0.00 N ATOM 0 H ARG A 71 6.497 -10.444 -2.750 1.00 0.00 H new ATOM 0 HA ARG A 71 5.398 -12.544 -4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.954 -11.941 -1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.140 -13.213 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.103 -13.229 -2.722 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.537 -13.515 -1.089 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.499 -15.698 -1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.854 -15.209 -2.275 1.00 0.00 H new ATOM 0 HE ARG A 71 6.730 -14.559 -4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.637 -17.097 -3.056 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.472 -17.964 -4.587 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.514 -15.670 -6.387 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.546 -17.145 -6.484 1.00 0.00 H new ATOM 1131 N HIS A 72 3.667 -10.157 -2.988 1.00 0.00 N ATOM 1132 CA HIS A 72 2.499 -9.301 -3.105 1.00 0.00 C ATOM 1133 C HIS A 72 2.898 -7.848 -2.836 1.00 0.00 C ATOM 1134 O HIS A 72 3.386 -7.525 -1.755 1.00 0.00 O ATOM 1135 CB HIS A 72 1.376 -9.787 -2.185 1.00 0.00 C ATOM 1136 CG HIS A 72 0.593 -10.954 -2.737 1.00 0.00 C ATOM 1137 ND1 HIS A 72 -0.788 -11.027 -2.673 1.00 0.00 N ATOM 1138 CD2 HIS A 72 1.010 -12.093 -3.363 1.00 0.00 C ATOM 1139 CE1 HIS A 72 -1.173 -12.163 -3.237 1.00 0.00 C ATOM 1140 NE2 HIS A 72 -0.057 -12.821 -3.663 1.00 0.00 N ATOM 0 H HIS A 72 4.195 -10.041 -2.123 1.00 0.00 H new ATOM 0 HA HIS A 72 2.107 -9.352 -4.121 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.805 -10.072 -1.224 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.691 -8.960 -1.996 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.035 -12.357 -3.578 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.191 -12.507 -3.341 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.045 -13.725 -4.135 1.00 0.00 H new ATOM 1148 N PHE A 73 2.675 -7.014 -3.840 1.00 0.00 N ATOM 1149 CA PHE A 73 3.006 -5.603 -3.727 1.00 0.00 C ATOM 1150 C PHE A 73 1.926 -4.734 -4.374 1.00 0.00 C ATOM 1151 O PHE A 73 1.144 -5.215 -5.193 1.00 0.00 O ATOM 1152 CB PHE A 73 4.327 -5.391 -4.468 1.00 0.00 C ATOM 1153 CG PHE A 73 4.452 -6.204 -5.759 1.00 0.00 C ATOM 1154 CD1 PHE A 73 4.755 -7.528 -5.702 1.00 0.00 C ATOM 1155 CD2 PHE A 73 4.260 -5.602 -6.964 1.00 0.00 C ATOM 1156 CE1 PHE A 73 4.871 -8.283 -6.900 1.00 0.00 C ATOM 1157 CE2 PHE A 73 4.376 -6.356 -8.161 1.00 0.00 C ATOM 1158 CZ PHE A 73 4.679 -7.681 -8.105 1.00 0.00 C ATOM 0 H PHE A 73 2.269 -7.287 -4.735 1.00 0.00 H new ATOM 0 HA PHE A 73 3.081 -5.322 -2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.433 -4.332 -4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.151 -5.653 -3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.908 -8.006 -4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.019 -4.550 -7.010 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.112 -9.335 -6.854 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.224 -5.877 -9.117 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.767 -8.254 -9.016 1.00 0.00 H new ATOM 1168 N ILE A 74 1.916 -3.468 -3.982 1.00 0.00 N ATOM 1169 CA ILE A 74 0.946 -2.527 -4.512 1.00 0.00 C ATOM 1170 C ILE A 74 1.437 -1.099 -4.268 1.00 0.00 C ATOM 1171 O ILE A 74 1.634 -0.694 -3.123 1.00 0.00 O ATOM 1172 CB ILE A 74 -0.443 -2.805 -3.934 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -1.285 -1.529 -3.888 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -0.341 -3.476 -2.562 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -2.711 -1.828 -3.420 1.00 0.00 C ATOM 0 H ILE A 74 2.566 -3.072 -3.302 1.00 0.00 H new ATOM 0 HA ILE A 74 0.849 -2.651 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.955 -3.503 -4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.822 -0.808 -3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.312 -1.071 -4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.342 -3.663 -2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.193 -4.421 -2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.198 -2.822 -1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.288 -0.903 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.180 -2.531 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.682 -2.263 -2.421 1.00 0.00 H new ATOM 1187 N TYR A 75 1.622 -0.375 -5.362 1.00 0.00 N ATOM 1188 CA TYR A 75 2.089 0.999 -5.280 1.00 0.00 C ATOM 1189 C TYR A 75 1.022 1.971 -5.787 1.00 0.00 C ATOM 1190 O TYR A 75 0.671 1.955 -6.965 1.00 0.00 O ATOM 1191 CB TYR A 75 3.314 1.083 -6.194 1.00 0.00 C ATOM 1192 CG TYR A 75 3.711 2.512 -6.571 1.00 0.00 C ATOM 1193 CD1 TYR A 75 4.285 3.340 -5.629 1.00 0.00 C ATOM 1194 CD2 TYR A 75 3.494 2.973 -7.855 1.00 0.00 C ATOM 1195 CE1 TYR A 75 4.659 4.685 -5.984 1.00 0.00 C ATOM 1196 CE2 TYR A 75 3.866 4.317 -8.210 1.00 0.00 C ATOM 1197 CZ TYR A 75 4.431 5.107 -7.256 1.00 0.00 C ATOM 1198 OH TYR A 75 4.784 6.376 -7.592 1.00 0.00 O ATOM 0 H TYR A 75 1.457 -0.714 -6.310 1.00 0.00 H new ATOM 0 HA TYR A 75 2.318 1.266 -4.248 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.157 0.601 -5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.114 0.520 -7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.454 2.980 -4.625 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.045 2.324 -8.593 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.110 5.343 -5.256 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.701 4.690 -9.210 1.00 0.00 H new ATOM 0 HH TYR A 75 5.289 6.781 -6.856 1.00 0.00 H new ATOM 1208 N PHE A 76 0.534 2.795 -4.870 1.00 0.00 N ATOM 1209 CA PHE A 76 -0.485 3.772 -5.209 1.00 0.00 C ATOM 1210 C PHE A 76 -0.231 5.101 -4.494 1.00 0.00 C ATOM 1211 O PHE A 76 0.741 5.235 -3.752 1.00 0.00 O ATOM 1212 CB PHE A 76 -1.825 3.202 -4.738 1.00 0.00 C ATOM 1213 CG PHE A 76 -1.805 2.672 -3.303 1.00 0.00 C ATOM 1214 CD1 PHE A 76 -1.069 1.571 -2.994 1.00 0.00 C ATOM 1215 CD2 PHE A 76 -2.525 3.302 -2.336 1.00 0.00 C ATOM 1216 CE1 PHE A 76 -1.051 1.079 -1.662 1.00 0.00 C ATOM 1217 CE2 PHE A 76 -2.507 2.810 -1.004 1.00 0.00 C ATOM 1218 CZ PHE A 76 -1.771 1.709 -0.695 1.00 0.00 C ATOM 0 H PHE A 76 0.826 2.805 -3.893 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.477 3.960 -6.283 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.586 3.978 -4.817 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.121 2.395 -5.408 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.498 1.071 -3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.110 4.176 -2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.466 0.205 -1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.078 3.310 -0.236 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.758 1.335 0.318 1.00 0.00 H new ATOM 1228 N TYR A 77 -1.121 6.050 -4.743 1.00 0.00 N ATOM 1229 CA TYR A 77 -1.006 7.363 -4.132 1.00 0.00 C ATOM 1230 C TYR A 77 -2.124 7.597 -3.116 1.00 0.00 C ATOM 1231 O TYR A 77 -3.292 7.698 -3.485 1.00 0.00 O ATOM 1232 CB TYR A 77 -1.150 8.373 -5.274 1.00 0.00 C ATOM 1233 CG TYR A 77 -0.428 9.699 -5.028 1.00 0.00 C ATOM 1234 CD1 TYR A 77 0.927 9.707 -4.763 1.00 0.00 C ATOM 1235 CD2 TYR A 77 -1.131 10.885 -5.070 1.00 0.00 C ATOM 1236 CE1 TYR A 77 1.607 10.955 -4.532 1.00 0.00 C ATOM 1237 CE2 TYR A 77 -0.450 12.134 -4.837 1.00 0.00 C ATOM 1238 CZ TYR A 77 0.886 12.107 -4.580 1.00 0.00 C ATOM 1239 OH TYR A 77 1.529 13.286 -4.362 1.00 0.00 O ATOM 0 H TYR A 77 -1.925 5.936 -5.360 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.056 7.459 -3.605 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.765 7.926 -6.191 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.209 8.573 -5.437 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.476 8.778 -4.729 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.191 10.878 -5.277 1.00 0.00 H new ATOM 0 HE1 TYR A 77 2.667 10.976 -4.325 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.988 13.070 -4.866 1.00 0.00 H new ATOM 0 HH TYR A 77 1.747 13.369 -3.410 1.00 0.00 H new ATOM 1249 N LEU A 78 -1.726 7.673 -1.854 1.00 0.00 N ATOM 1250 CA LEU A 78 -2.681 7.893 -0.781 1.00 0.00 C ATOM 1251 C LEU A 78 -2.837 9.396 -0.543 1.00 0.00 C ATOM 1252 O LEU A 78 -1.879 10.073 -0.176 1.00 0.00 O ATOM 1253 CB LEU A 78 -2.271 7.112 0.468 1.00 0.00 C ATOM 1254 CG LEU A 78 -2.698 5.642 0.512 1.00 0.00 C ATOM 1255 CD1 LEU A 78 -1.942 4.884 1.605 1.00 0.00 C ATOM 1256 CD2 LEU A 78 -4.213 5.516 0.667 1.00 0.00 C ATOM 0 H LEU A 78 -0.756 7.586 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.663 7.511 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.186 7.157 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.687 7.617 1.340 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.434 5.180 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.264 3.843 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.871 4.931 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.151 5.338 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.489 4.462 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.525 5.998 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.706 5.998 -0.177 1.00 0.00 H new ATOM 1268 N GLY A 79 -4.055 9.874 -0.761 1.00 0.00 N ATOM 1269 CA GLY A 79 -4.349 11.285 -0.573 1.00 0.00 C ATOM 1270 C GLY A 79 -3.563 12.145 -1.564 1.00 0.00 C ATOM 1271 O GLY A 79 -4.073 12.499 -2.625 1.00 0.00 O ATOM 0 H GLY A 79 -4.848 9.310 -1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.417 11.458 -0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.100 11.579 0.447 1.00 0.00 H new ATOM 1275 N GLN A 80 -2.332 12.454 -1.184 1.00 0.00 N ATOM 1276 CA GLN A 80 -1.470 13.267 -2.025 1.00 0.00 C ATOM 1277 C GLN A 80 -0.008 12.846 -1.849 1.00 0.00 C ATOM 1278 O GLN A 80 0.900 13.659 -2.016 1.00 0.00 O ATOM 1279 CB GLN A 80 -1.652 14.755 -1.722 1.00 0.00 C ATOM 1280 CG GLN A 80 -1.174 15.090 -0.308 1.00 0.00 C ATOM 1281 CD GLN A 80 -1.812 16.386 0.194 1.00 0.00 C ATOM 1282 OE1 GLN A 80 -3.016 16.579 0.135 1.00 0.00 O ATOM 1283 NE2 GLN A 80 -0.942 17.261 0.691 1.00 0.00 N ATOM 0 H GLN A 80 -1.911 12.156 -0.304 1.00 0.00 H new ATOM 0 HA GLN A 80 -1.753 13.105 -3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.095 15.348 -2.448 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -2.703 15.025 -1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.424 14.272 0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.088 15.188 -0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.053 17.036 0.711 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.270 18.157 1.053 1.00 0.00 H new ATOM 1292 N VAL A 81 0.173 11.576 -1.516 1.00 0.00 N ATOM 1293 CA VAL A 81 1.508 11.038 -1.317 1.00 0.00 C ATOM 1294 C VAL A 81 1.582 9.633 -1.916 1.00 0.00 C ATOM 1295 O VAL A 81 0.553 9.007 -2.168 1.00 0.00 O ATOM 1296 CB VAL A 81 1.870 11.074 0.170 1.00 0.00 C ATOM 1297 CG1 VAL A 81 1.038 10.061 0.960 1.00 0.00 C ATOM 1298 CG2 VAL A 81 3.366 10.833 0.376 1.00 0.00 C ATOM 0 H VAL A 81 -0.582 10.904 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 81 2.247 11.650 -1.833 1.00 0.00 H new ATOM 0 HB VAL A 81 1.636 12.069 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.314 10.106 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.021 10.297 0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.227 9.058 0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.596 10.864 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.636 9.856 -0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.934 11.607 -0.140 1.00 0.00 H new ATOM 1308 N ALA A 82 2.809 9.180 -2.131 1.00 0.00 N ATOM 1309 CA ALA A 82 3.031 7.860 -2.697 1.00 0.00 C ATOM 1310 C ALA A 82 3.197 6.845 -1.564 1.00 0.00 C ATOM 1311 O ALA A 82 3.631 7.198 -0.469 1.00 0.00 O ATOM 1312 CB ALA A 82 4.244 7.901 -3.627 1.00 0.00 C ATOM 0 H ALA A 82 3.659 9.704 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 82 2.174 7.549 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.411 6.911 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.062 8.615 -4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.125 8.207 -3.063 1.00 0.00 H new ATOM 1318 N ILE A 83 2.842 5.605 -1.868 1.00 0.00 N ATOM 1319 CA ILE A 83 2.948 4.537 -0.889 1.00 0.00 C ATOM 1320 C ILE A 83 3.150 3.204 -1.614 1.00 0.00 C ATOM 1321 O ILE A 83 2.324 2.808 -2.434 1.00 0.00 O ATOM 1322 CB ILE A 83 1.739 4.549 0.049 1.00 0.00 C ATOM 1323 CG1 ILE A 83 2.076 3.884 1.386 1.00 0.00 C ATOM 1324 CG2 ILE A 83 0.520 3.907 -0.618 1.00 0.00 C ATOM 1325 CD1 ILE A 83 1.112 4.341 2.483 1.00 0.00 C ATOM 0 H ILE A 83 2.481 5.317 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 83 3.819 4.689 -0.252 1.00 0.00 H new ATOM 0 HB ILE A 83 1.481 5.587 0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.025 2.800 1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.099 4.129 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.325 3.929 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.266 4.461 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.750 2.874 -0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.373 3.854 3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.183 5.422 2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.092 4.073 2.206 1.00 0.00 H new ATOM 1337 N LEU A 84 4.253 2.550 -1.285 1.00 0.00 N ATOM 1338 CA LEU A 84 4.576 1.271 -1.894 1.00 0.00 C ATOM 1339 C LEU A 84 4.609 0.189 -0.813 1.00 0.00 C ATOM 1340 O LEU A 84 5.359 0.297 0.157 1.00 0.00 O ATOM 1341 CB LEU A 84 5.871 1.372 -2.701 1.00 0.00 C ATOM 1342 CG LEU A 84 6.988 0.404 -2.304 1.00 0.00 C ATOM 1343 CD1 LEU A 84 7.598 0.797 -0.956 1.00 0.00 C ATOM 1344 CD2 LEU A 84 6.487 -1.041 -2.308 1.00 0.00 C ATOM 0 H LEU A 84 4.936 2.882 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 84 3.804 0.985 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.634 1.210 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.252 2.390 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 84 7.781 0.471 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.389 0.094 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.014 1.802 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.826 0.775 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.300 -1.709 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.667 -1.144 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.137 -1.302 -3.307 1.00 0.00 H new ATOM 1356 N LEU A 85 3.787 -0.830 -1.014 1.00 0.00 N ATOM 1357 CA LEU A 85 3.712 -1.931 -0.069 1.00 0.00 C ATOM 1358 C LEU A 85 4.025 -3.242 -0.792 1.00 0.00 C ATOM 1359 O LEU A 85 3.438 -3.537 -1.831 1.00 0.00 O ATOM 1360 CB LEU A 85 2.359 -1.931 0.648 1.00 0.00 C ATOM 1361 CG LEU A 85 2.159 -3.021 1.703 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.335 -2.500 2.881 1.00 0.00 C ATOM 1363 CD2 LEU A 85 1.542 -4.277 1.083 1.00 0.00 C ATOM 0 H LEU A 85 3.166 -0.916 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 85 4.462 -1.812 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.224 -0.961 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.573 -2.029 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 85 3.137 -3.301 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.208 -3.295 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.852 -1.658 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.357 -2.175 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.410 -5.036 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.574 -4.030 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.202 -4.661 0.305 1.00 0.00 H new ATOM 1375 N PHE A 86 4.951 -3.993 -0.214 1.00 0.00 N ATOM 1376 CA PHE A 86 5.349 -5.266 -0.791 1.00 0.00 C ATOM 1377 C PHE A 86 5.700 -6.276 0.303 1.00 0.00 C ATOM 1378 O PHE A 86 6.195 -5.902 1.365 1.00 0.00 O ATOM 1379 CB PHE A 86 6.593 -5.001 -1.642 1.00 0.00 C ATOM 1380 CG PHE A 86 7.866 -4.768 -0.828 1.00 0.00 C ATOM 1381 CD1 PHE A 86 8.473 -5.811 -0.200 1.00 0.00 C ATOM 1382 CD2 PHE A 86 8.393 -3.517 -0.732 1.00 0.00 C ATOM 1383 CE1 PHE A 86 9.655 -5.594 0.556 1.00 0.00 C ATOM 1384 CE2 PHE A 86 9.575 -3.301 0.023 1.00 0.00 C ATOM 1385 CZ PHE A 86 10.182 -4.344 0.651 1.00 0.00 C ATOM 0 H PHE A 86 5.437 -3.744 0.648 1.00 0.00 H new ATOM 0 HA PHE A 86 4.532 -5.679 -1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.751 -5.848 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.411 -4.129 -2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.056 -6.804 -0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.912 -2.689 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 86 10.136 -6.422 1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.993 -2.308 0.099 1.00 0.00 H new ATOM 0 HZ PHE A 86 11.082 -4.179 1.225 1.00 0.00 H new ATOM 1395 N LYS A 87 5.431 -7.539 0.005 1.00 0.00 N ATOM 1396 CA LYS A 87 5.713 -8.608 0.950 1.00 0.00 C ATOM 1397 C LYS A 87 6.969 -9.359 0.503 1.00 0.00 C ATOM 1398 O LYS A 87 7.016 -9.893 -0.604 1.00 0.00 O ATOM 1399 CB LYS A 87 4.487 -9.507 1.122 1.00 0.00 C ATOM 1400 CG LYS A 87 4.363 -9.993 2.567 1.00 0.00 C ATOM 1401 CD LYS A 87 5.327 -11.148 2.843 1.00 0.00 C ATOM 1402 CE LYS A 87 4.759 -12.472 2.326 1.00 0.00 C ATOM 1403 NZ LYS A 87 5.455 -12.887 1.089 1.00 0.00 N ATOM 0 H LYS A 87 5.021 -7.846 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 87 5.921 -8.199 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.588 -8.960 0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.562 -10.363 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.572 -9.170 3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.340 -10.315 2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.286 -10.948 2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.514 -11.222 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.868 -13.244 3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.692 -12.365 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.774 -13.330 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.878 -12.054 0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.203 -13.570 1.324 1.00 0.00 H new ATOM 1415 N SER A 88 7.955 -9.375 1.387 1.00 0.00 N ATOM 1416 CA SER A 88 9.209 -10.052 1.097 1.00 0.00 C ATOM 1417 C SER A 88 9.777 -10.669 2.377 1.00 0.00 C ATOM 1418 O SER A 88 10.199 -9.951 3.282 1.00 0.00 O ATOM 1419 CB SER A 88 10.223 -9.090 0.476 1.00 0.00 C ATOM 1420 OG SER A 88 11.195 -8.655 1.422 1.00 0.00 O ATOM 0 H SER A 88 7.912 -8.931 2.304 1.00 0.00 H new ATOM 0 HA SER A 88 9.012 -10.844 0.375 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.724 -9.580 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.700 -8.224 0.070 1.00 0.00 H new ATOM 0 HG SER A 88 10.777 -8.567 2.304 1.00 0.00 H new ATOM 1426 N GLY A 89 9.770 -11.994 2.412 1.00 0.00 N ATOM 1427 CA GLY A 89 10.280 -12.715 3.565 1.00 0.00 C ATOM 1428 C GLY A 89 9.240 -13.704 4.097 1.00 0.00 C ATOM 1429 O GLY A 89 8.173 -13.301 4.556 1.00 0.00 O ATOM 0 H GLY A 89 9.419 -12.587 1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.189 -13.250 3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.550 -12.009 4.350 1.00 0.00 H new TER 1433 GLY A 89